2-methoxypent-1-en-3-ol

C6H12O2 — CID 71425947

IUPAC2-methoxypent-1-en-3-ol
SMILESC=C(OC)C(O)CC
InChIInChI=1S/C6H12O2/c1-4-6(7)5(2)8-3/h6-7H,2,4H2,1,3H3
InChIKeyDFTUMDVKVQNPFM-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.92
Rot. Bonds3

About 2-methoxypent-1-en-3-ol

2-methoxypent-1-en-3-ol (PubChem CID 71425947) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methoxypent-1-en-3-ol.

Molecular Properties

Compound Name2-methoxypent-1-en-3-ol
PubChem CID71425947
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-methoxypent-1-en-3-ol
SMILESC=C(OC)C(O)CC
InChIInChI=1S/C6H12O2/c1-4-6(7)5(2)8-3/h6-7H,2,4H2,1,3H3
InChIKeyDFTUMDVKVQNPFM-UHFFFAOYSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypent-1-en-3-ol?
The IUPAC name of 2-methoxypent-1-en-3-ol (CID 71425947) is 2-methoxypent-1-en-3-ol.
What is the SMILES notation for 2-methoxypent-1-en-3-ol?
The canonical SMILES for 2-methoxypent-1-en-3-ol is C=C(OC)C(O)CC.
What is the InChIKey of 2-methoxypent-1-en-3-ol?
The InChIKey is DFTUMDVKVQNPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-6(7)5(2)8-3/h6-7H,2,4H2,1,3H3.
What are the key properties of 2-methoxypent-1-en-3-ol?
2-methoxypent-1-en-3-ol has a molecular weight of 116.16 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypent-1-en-3-ol is sourced from PubChem (CID 71425947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).